3-[[4-(5-ethyl-3-methylsulfanyl-1,2-oxazol-4-yl)pyridin-2-yl]amino]benzoic acid

Systemtic Name: 3-[[4-(5-ethyl-3-methylsulfanyl-1,2-oxazol-4-yl)pyridin-2-yl]amino]benzoic acid Openeye Name: 3-[[4-(5-ethyl-3-methylsulfanyl-isoxazol-4-yl)-2-pyridyl]amino]benzoic acid CAS Name: 3-[[4-[5-ethyl-3-(methylthio)-4-isoxazolyl]-2-pyridinyl]amino]benzoic acid IUPAC Name: 3-[[4-(5-ethyl-3-methylsulfanyl-1,2-oxazol-4-yl)pyridin-2-yl]amino]benzoic acid Traditional Name: 3-[[4-[5-ethyl-3-(methylthio)isoxazol-4-yl]-2-pyridyl]amino]benzoic acid Formula: C18H17N3O3S MolecularWeight: 355.41088

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NO1)SC)C2=CC(=NC=C2)NC3=CC=CC(=C3)C(=O)O

Isomeric SMILES

CCC1=C(C(=NO1)SC)C2=CC(=NC=C2)NC3=CC=CC(=C3)C(=O)O

InChI

InChI=1S/C18H17N3O3S/c1-3-14-16(17(25-2)21-24-14)11-7-8-19-15(10-11)20-13-6-4-5-12(9-13)18(22)23/h4-10H,3H2,1-2H3,(H,19,20)(H,22,23)